Geometry & MOs

Info

ID:	14776
PubChem CID:	420403
Reduced:	NO2C16H19 (1)
Stoich.:	AB2C16D19 (1)
Weight, g/mol:	257.141579
ΔH_f, kcal/mol:	-31.71
Dipole, Da:	2.5
IP(EA), eV:	-7.84(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(5-ethyl-1-methyl-2H-pyridin-2-yl)ethenyl]benzene-1,2-diol

Drug info:

PubChemData

Smile

CCC1=CN(C(C=C1)C=CC2=CC(=C(C=C2)O)O)C

DOS

IR

Vibrations